Geometry & MOs

Info

ID:	420528
PubChem CID:	135113657
Reduced:	FN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	373.101765
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	3.97
IP(EA), eV:	-9.12(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CCC(CC3)CCN4C=CC=N4)C(=O)O)F

DOS

IR

Vibrations